2-(1,1-difluoroethoxy)ethanamine

C4H9F2NO — CID 147876442

IUPAC2-(1,1-difluoroethoxy)ethanamine
SMILESCC(F)(F)OCCN
InChIInChI=1S/C4H9F2NO/c1-4(5,6)8-3-2-7/h2-3,7H2,1H3
InChIKeyHZPOFJYQZKXXJG-UHFFFAOYSA-N
MW125.12 g/mol
LogP0.57
Rot. Bonds3

About 2-(1,1-difluoroethoxy)ethanamine

2-(1,1-difluoroethoxy)ethanamine (PubChem CID 147876442) has the molecular formula C4H9F2NO and a molecular weight of 125.12 g/mol. Its IUPAC name is 2-(1,1-difluoroethoxy)ethanamine.

Molecular Properties

Compound Name2-(1,1-difluoroethoxy)ethanamine
PubChem CID147876442
Molecular FormulaC4H9F2NO
Molecular Weight125.12 g/mol
Exact Mass125.07
IUPAC Name2-(1,1-difluoroethoxy)ethanamine
SMILESCC(F)(F)OCCN
InChIInChI=1S/C4H9F2NO/c1-4(5,6)8-3-2-7/h2-3,7H2,1H3
InChIKeyHZPOFJYQZKXXJG-UHFFFAOYSA-N
XLogP0.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.12
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethoxyethylamine
CID 66970
2-(2,2,2-Trifluoroethoxy)ethanamine
CID 2060297
3,3,3-Trifluoro-2-methoxypropan-1-amine hydrochloride
CID 54593160
2-(2,2-Difluoroethoxy)ethan-1-amine hydrochloride
CID 75525737
2-(Difluoromethoxy)ethan-1-amine
CID 84715994
2-(Difluoromethoxy)propan-1-amine
CID 84716057
(2S)-1-(trifluoromethoxy)propan-2-amine hydrochloride
CID 121000302
2-(Difluoromethoxy)ethan-1-amine hydrochloride
CID 122446091
(2R)-1-(difluoromethoxy)propan-2-amine hydrochloride
CID 122446094
(2S)-1-(difluoromethoxy)propan-2-amine hydrochloride
CID 122446099
1-(Trifluoromethoxy)propan-2-amine hydrochloride
CID 135354874
1,1,1-Trifluoro-3-methoxypropan-2-amine hydrochloride
CID 137838509

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethoxy)ethanamine?
The IUPAC name of 2-(1,1-difluoroethoxy)ethanamine (CID 147876442) is 2-(1,1-difluoroethoxy)ethanamine.
What is the SMILES notation for 2-(1,1-difluoroethoxy)ethanamine?
The canonical SMILES for 2-(1,1-difluoroethoxy)ethanamine is CC(F)(F)OCCN.
What is the InChIKey of 2-(1,1-difluoroethoxy)ethanamine?
The InChIKey is HZPOFJYQZKXXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO/c1-4(5,6)8-3-2-7/h2-3,7H2,1H3.
What are the key properties of 2-(1,1-difluoroethoxy)ethanamine?
2-(1,1-difluoroethoxy)ethanamine has a molecular weight of 125.12 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethoxy)ethanamine is sourced from PubChem (CID 147876442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).